Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50213572'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50213572 (7-{4-[4-(3-chlorophenyl)-piperazin-1-yl]-butyl}-1,...) Show SMILES Cn1c2[nH]c(=O)n(CCCCN3CCN(CC3)c3cccc(Cl)c3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H27ClN6O3/c1-24-18-17(19(29)25(2)21(24)31)28(20(30)23-18)9-4-3-8-26-10-12-27(13-11-26)16-7-5-6-15(22)14-16/h5-7,14H,3-4,8-13H2,1-2H3,(H,23,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat brain 5HT2A receptor				Bioorg Med Chem 15: 5239-50 (2007) Article DOI: 10.1016/j.bmc.2007.05.017 BindingDB Entry DOI: 10.7270/Q22F7P87
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